1,3-Pentadiene, 2,4-dimethyl-

• Formula: C₇H₁₂
• Molecular weight: 96.1702
• IUPAC Standard InChI: InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3 Copy

  
• IUPAC Standard InChIKey: CMSUNVGIWAFNBG-UHFFFAOYSA-N Copy
• CAS Registry Number: 1000-86-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1,1,3-Trimethylbutadiene; 2,4-Dimethyl-1,3-pentadiene; (CH3)2C=CHC(CH3)=CH2; 2,4-dimethylpenta-1,3-diene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated by: Edward P. Hunter and Sharon G. Lias

View reactions leading to C₇H₁₂⁺ (ion structure unspecified)

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kelso, Greenlee, et al., 1955
Kelso, R.G.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E., The Synthesis, Purification and Properties of Some Polyalkylcyclo- propanes: Reduction of α,.gama.-Dibromides, J. Am. Chem. Soc., 1955, 77, 1751-5. [all data]

Boord, Henne, et al., 1949
Boord, C.E.; Henne, A.L.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M., The Grignard Reagent in hydrocarbon synthesis, Ind. Eng. Chem., 1949, 41, 609. [all data]

Boord, Greenlee, et al., 1947
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Ninth Annu. Rep., Ohio State Univ., June 30, 1947. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

Waterman and de Kok, 1933
Waterman, H.I.; de Kok, W.J.C., Preparation of Pure 2,4-Dimethylpentadiene-1,3, Recl. Trav. Chim. Pays-Bas, 1933, 52, 235. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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